methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

C11H19NO5 — CID 13489268

IUPACmethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
SMILESC=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-6-7(13)8(9(14)16-5)12-10(15)17-11(2,3)4/h6-8,13H,1H2,2-5H3,(H,12,15)/t7-,8-/m1/s1
InChIKeyAJDZHAFTPUNZNV-HTQZYQBOSA-N
MW245.27 g/mol
LogP0.60
Rot. Bonds4

About methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate

methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (PubChem CID 13489268) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
PubChem CID13489268
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
SMILESC=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H19NO5/c1-6-7(13)8(9(14)16-5)12-10(15)17-11(2,3)4/h6-8,13H,1H2,2-5H3,(H,12,15)/t7-,8-/m1/s1
InChIKeyAJDZHAFTPUNZNV-HTQZYQBOSA-N
XLogP0.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The IUPAC name of methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate (CID 13489268) is methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate.
What is the SMILES notation for methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The canonical SMILES for methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is C=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
The InChIKey is AJDZHAFTPUNZNV-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19NO5/c1-6-7(13)8(9(14)16-5)12-10(15)17-11(2,3)4/h6-8,13H,1H2,2-5H3,(H,12,15)/t7-,8-/m1/s1.
What are the key properties of methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate?
methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate has a molecular weight of 245.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate is sourced from PubChem (CID 13489268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).